CID 199306

3998-94-5

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CC(C)(C(C1=CC=CC=C1)N)N(C)C

InChI

InChI=1S/C12H20N2/c1-12(2,14(3)4)11(13)10-8-6-5-7-9-10/h5-9,11H,13H2,1-4H3

InChIKey

POIHZKRAEGEBRP-UHFFFAOYSA-N

Compound name

2-N,2-N,2-trimethyl-1-phenylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 192.16264 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.16992	146.8
[M+Na]+	215.15186	156.8
[M+NH4]+	210.19646	155.2
[M+K]+	231.12580	151.6
[M-H]-	191.15536	149.9
[M+Na-2H]-	213.13731	153.4
[M]+	192.16209	149.0
[M]-	192.16319	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe